2-Nitro-1-phenylpropene CAS# 705-60-2
1. Conjugated π-Electron System:
The combination of the nitro group (-NO_2−NO2) and allyl group forms a conjugated π-electron system, giving it the chemical traits of both alkenes and nitro compounds.
2. Solubility in Organic Solvents:
Easily dissolves in solvents like acetone, chloroform, dichloromethane, and methanol, offering flexibility in various applications.
3. Stable Form:
Present as a crystalline powder, it remains stable when stored at 2-8°C, ensuring longevity.
4. High Boiling Point:
With a boiling point of 263°C, it is suitable for high-temperature processes in chemical and industrial applications.
The benzene ring is attached to an allyl group, with the β-carbon of the allyl group bonded to a nitro group (−NO2), creating a conjugated π-electron system. This imparts the chemical characteristics of both alkenes and nitro compounds. Typically, it appears as an oily liquid or crystalline solid, ranging from yellow to orange, and has a strong odor. It is only slightly soluble in water but easily dissolves in organic solvents such as ethanol, ether, and acetone.
Parameters
Melting point | 63-65 °C (lit.) |
Boiling point | 263.0±9.0 °C(Predicted) |
density | 1.141±0.06 g/cm3(Predicted) |
storage temp. | 2-8°C |
solubility | Acetone, Chloroform, Dichloromethane, Methanol |
form | Crystalline Powder |
color | Yellow |
InChI | InChI=1S/C9H9NO2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3 |
InChIKey | WGSVFWFSJDAYBM-BQYQJAHWSA-N |
SMILES | C1(C=C([N+]([O-])=O)C)=CC=CC=C1 |
NIST Chemistry Reference | Benzene, (2-nitro-1-propenyl)-(705-60-2) |
EPA Substance Registry System | (2-Nitro-1-propenyl)benzene (705-60-2) |
Safety Information
Hazard Codes | Xi |
Risk Statements | 36/37/38 |
Safety Statements | 26-36-37/39 |
WGK Germany | 3 |
RTECS | DA6495000 |
HS Code | 29042090 |
